N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC(C)C

InChI

InChI=1S/C27H31N5O3S/c1-18(2)35-16-10-15-31-26(34)22-13-8-9-14-23(22)28-27(31)36-17-24(33)29-25-19(3)30-32(20(25)4)21-11-6-5-7-12-21/h5-9,11-14,18H,10,15-17H2,1-4H3,(H,29,33)